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Molecule
N2-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N6-[(2-Propen-1-Yloxy)Carbonyl]-D-Lysine
CAS: 214750-75-1 · C25H28N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 214750-75-1
- Molecular Formula
- C25H28N2O6
- Molecular Mass
- 452.51 g/mol
Identifiers
CAS Registry Number
214750-75-1
SMILES
C=CCOC(O)=NCCCC[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI Key
OJBNDXHENJDCBA-JOCHJYFZSA-N
InChI
InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m1/s1
Names and Synonyms
- N2-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N6-[(2-Propen-1-Yloxy)Carbonyl]-D-Lysine Synonym
- D-Lysine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N6-[(2-propen-1-yloxy)carbonyl]- Synonym
- D-Lysine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N6-[(2-propenyloxy)carbonyl]- Synonym
- N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N6-[(2-propen-1-yloxy)carbonyl]-D-lysine Synonym
- Fmoc-D-Lys(Alloc) Synonym
- (2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hexanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 452.51 g/mol | CAS Common Chemistry |
| 452.5070000000001 g/mol | RDKit | |
| 452.507 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=C)NCCCCC(NC(=O)OCC1C=2C=CC=CC2C=3C=CC=CC31)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OJBNDXHENJDCBA-JOCHJYFZSA-N | CAS Common Chemistry |
| Name | N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N6-[(2-propen-1-yloxy)carbonyl]-D-lysine | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 120.94000000000001 Ų | RDKit |
| 120.94 Ų | RDKit | |
| LogP | 4.469600000000003 | RDKit |
| 4.4696 | RDKit | |
| Molar Refractivity | 126.09140000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.32 | RDKit |
| Exact Mass | 452.19473661599994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 452.51 g/mol. Edit any field — others recompute live.
